Geometry of density matrices. I. Definitions,Nmatrices and 1 matrices

Abstract

Density matrices defined with respect to a finite basis set are considered as elements in a vector space. A basis set is introduced in the space whose elements are Hermitian matrices. By a suitable transformation of the basis, one component only will contribute to the trace, so the space of unit trace matrices is a translated linear subspace. The positivity constraint is then examined in terms of distance from a multiple of the unit matrix, which is in the interior of the set of density matrices. The boundary of this set is shown to lie between two concentric hyperspheres. The set whose elements are $N$-representable 1 matrices has similar properties.